ChemSpider 2D Image | N-[3-(Difluoromethoxy)-4-methoxybenzyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C16H17F2N5O2

N-[3-(Difluoromethoxy)-4-methoxybenzyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID26223030

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,1-dimethyl- [ACD/Index Name]
N-[3-(Difluormethoxy)-4-methoxybenzyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[3-(Difluoromethoxy)-4-methoxybenzyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[3-(Difluorométhoxy)-4-méthoxybenzyl]-N,1-diméthyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.66
ACD/KOC (pH 5.5): 383.26
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.63
ACD/KOC (pH 7.4): 421.64
Polar Surface Area: 65 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

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